From d65a1a4e64a3996d305ea476126b1e9808e23e6b Mon Sep 17 00:00:00 2001
From: Veronika Juraskova <veronika.juraskova@chem.ox.ac.uk>
Date: Thu, 27 Jun 2024 14:57:21 +0100
Subject: [PATCH] Minor changes

---
 ...ommit-config.py => .pre-commit-config.yaml |  8 ++--
 test_string_to_function.py                    | 44 -------------------
 2 files changed, 3 insertions(+), 49 deletions(-)
 rename .pre-commit-config.py => .pre-commit-config.yaml (73%)
 delete mode 100644 test_string_to_function.py

diff --git a/.pre-commit-config.py b/.pre-commit-config.yaml
similarity index 73%
rename from .pre-commit-config.py
rename to .pre-commit-config.yaml
index df3428a..35a94a5 100644
--- a/.pre-commit-config.py
+++ b/.pre-commit-config.yaml
@@ -8,15 +8,13 @@
       - id: no-commit-to-branch
       - id: check-executables-have-shebangs
       - id: check-shebang-scripts-are-executable
-      - id: check-added-large-files
-        args: ['--maxkb=500', '--enforce-all']
       - id: check-yaml
       - id: check-toml
 
-  - repo: https://github.com/astral-sh/ruff-pre-commit
+        #  - repo: https://github.com/astral-sh/ruff-pre-commit
     # Ruff version.
-    rev: v0.2.1
-    hooks:
+    #rev: v0.2.1
+    #hooks:
 #      - id: ruff
 #        args: [--show-source, --fix]
 #      - id: ruff-format
diff --git a/test_string_to_function.py b/test_string_to_function.py
deleted file mode 100644
index 619b597..0000000
--- a/test_string_to_function.py
+++ /dev/null
@@ -1,44 +0,0 @@
-import numpy as np
-
-
-expression = 'a + b / (variable1_range/10000.0) + c * np.log10(variable2_range/10000)'
-
-# Fixed values for a, b, c
-coefficients = {'a': 1, 'b': 4, 'c': 7}
-
-# Specify the variable names that should vary
-variable_names = ['variable1', 'variable2']  # These names should match usage in expression
-
-# Create a function that varies with specified variables
-specific_function = generate_specific_function(expression, coefficients, variable_names)
-
-# Example usage with arrays for each variable
-variable1_values = np.array([10000, 20000, 30000])  # Example values for variable1
-variable2_values = np.array([10000, 20000, 30000])  # Example values for variable2
-
-# Compute the result using the custom specific function
-result = specific_function(variable1_values, variable2_values)
-print(result)
- #[5.0 5.107209969647869 5.67318211637097]
-
-expression = 'a + b / (variable1/10000.0) + c * np.log10(variable2/10000)'
-
-# Extract variables
-coef_names = extract_coef_names(expression)
-print(coef_names)
-coef_values = [1,2,3]
-print(coef_values)
-#X['a', 'b', 'c']
-create_coef_dict(coef_names,coef_values )
-# Answer should be {'a': 1, 'b': 2, 'c': 3}
-
-expression = 'a + b / (variable1_range/10000.0) + c * np.log10(variable2_range/10000)'
-
-# Extract variables ending with '_range' (default suffix)
-range_variables = extract_variables_names(expression)
-print(range_variables) 
-#['variable1_range', 'variable2_range']
-
-
-create_coef_dict (coef_names, coef_values)
-#{'a': 1, 'b': 2, 'c': 3}
\ No newline at end of file